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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Re3W by Materials Project

Re3W is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve equivalent Re atoms to form WRe12 cuboctahedra that share corners with six equivalent WRe12 cuboctahedra, corners with twelve equivalent ReRe8W4 cuboctahedra, edges with eighteen equivalent ReRe8W4 cuboctahedra, faces with eight equivalent WRe12 cuboctahedra, and faces with twelve equivalent ReRe8W4 cuboctahedra. There are six shorter (2.79 Å) and six longer (2.80 Å) W–Re bond lengths. Re is bonded to four equivalent W and eight equivalent Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with four equivalent WRe12 cuboctahedra, corners with fourteen equivalent ReRe8W4 cuboctahedra, edges with six equivalent WRe12 cuboctahedra, edges with twelve equivalent ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with sixteen equivalent ReRe8W4 cuboctahedra. There are six shorter (2.79 Å) and two longer (2.80 Å) Re–Re bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3W by Materials Project

Re3W is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W is bonded to twelve Re atoms to form WRe12 cuboctahedra that share corners with four equivalent WRe12 cuboctahedra, corners with eight equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen equivalent ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.80 Å) W–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent W and eight Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with twelve equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.80 Å) Re–Re bond lengths. In the second Re site, Re is bonded to four equivalent W and eight equivalent Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with four equivalent ReRe8W4 cuboctahedra, corners with eight equivalent WRe12 cuboctahedra, edges with twenty-four ReRe8W4 cuboctahedra, faces with six equivalent WRe12 cuboctahedra, and faces with twelve ReRe8W4 cuboctahedra.

36 MATERIALS SCIENCE↗